2-(bromomethyl)-1,1-dimethylcyclohexane

C9H17Br — CID 79853297

IUPAC2-(bromomethyl)-1,1-dimethylcyclohexane
SMILESCC1(C)CCCCC1CBr
InChIInChI=1S/C9H17Br/c1-9(2)6-4-3-5-8(9)7-10/h8H,3-7H2,1-2H3
InChIKeyIUDMLKDDOBZADK-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.60
Rot. Bonds1

About 2-(bromomethyl)-1,1-dimethylcyclohexane

2-(bromomethyl)-1,1-dimethylcyclohexane (PubChem CID 79853297) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 2-(bromomethyl)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name2-(bromomethyl)-1,1-dimethylcyclohexane
PubChem CID79853297
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name2-(bromomethyl)-1,1-dimethylcyclohexane
SMILESCC1(C)CCCCC1CBr
InChIInChI=1S/C9H17Br/c1-9(2)6-4-3-5-8(9)7-10/h8H,3-7H2,1-2H3
InChIKeyIUDMLKDDOBZADK-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,1-dimethylcyclohexane?
The IUPAC name of 2-(bromomethyl)-1,1-dimethylcyclohexane (CID 79853297) is 2-(bromomethyl)-1,1-dimethylcyclohexane.
What is the SMILES notation for 2-(bromomethyl)-1,1-dimethylcyclohexane?
The canonical SMILES for 2-(bromomethyl)-1,1-dimethylcyclohexane is CC1(C)CCCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1,1-dimethylcyclohexane?
The InChIKey is IUDMLKDDOBZADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-9(2)6-4-3-5-8(9)7-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-(bromomethyl)-1,1-dimethylcyclohexane?
2-(bromomethyl)-1,1-dimethylcyclohexane has a molecular weight of 205.14 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,1-dimethylcyclohexane is sourced from PubChem (CID 79853297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).